Molecule

ID:43101

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c9-5-7-4-6-2-1-3-8(6)10-7/h4,9H,1-3,5H2
InChIKey
MOARKVWJFPIWFD-UHFFFAOYSA-N
Canonic Smiles
OCc1sc2c(c1)CCC2
Isomeric Smiles
s1c2c(cc1CO)CCC2
Calculated Properties
JChem
Acid pKa
14.715313
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2589023
LogD (pH = 7.4)
2.2589023
Log P
2.2589023
Molar Refractivity
42.5831
Polarizability
16.07675
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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